DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:24 UTC
Update Date	2025-03-25 00:57:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223099
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₄O₄
Molecular Mass	284.1485
SMILES	NC(CCC(=O)O)CCn1cnc(CC(N)C(=O)O)c1
InChI Key	SBROZTQQBJKMCF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidazoles medium-chain fatty acids monoalkylamines n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound azole n-substituted imidazole azacycle heteroaromatic compound amino fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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